CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Pale yellow or colorless liquid; bp = 39-40 deg C; Stabilized with 3,5-Di-tert-butylcatechol; [Alfa Aesar MSDS] |
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Chemical Classes | Other Classes -> Other Organic Compounds |
COMPUTED DESCRIPTORS
Molecular Weight | 140.06 g/mol |
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XLogP3 | 1.7 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 2 |
Exact Mass | 140.00851382 g/mol |
Monoisotopic Mass | 140.00851382 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 126 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |